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Ligand

NameCHEMBL92496
Molecular formulaC25H31N3O4
IUPAC name7,8-dimethoxy-3-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight437.54
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.4
SynonymsBDBM50131362
7,8-Dimethoxy-3-(4-phenethyl-piperazin-1-ylmethyl)-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Inchi KeyAVVCHEPXGGYIRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31N3O4/c1-29-22-14-19-21(15-23(22)30-2)31-17-20-24(32-26-25(19)20)16-28-12-10-27(11-13-28)9-8-18-6-4-3-5-7-18/h3-7,14-15,20,24H,8-13,16-17H2,1-2H3
PubChem CID44325079
ChEMBLCHEMBL92496
IUPHARN/A
BindingDB50131362
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15681Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
15680Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
15682Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462

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